Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28055447 | 1.00 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL28600522 | 0.88 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL28600049 | 0.84 | CA1 (0.41) | CA1CA2CA7CA9BACE1 | |
| SCHEMBL28608472 | 0.84 | SMN1; SMN2 (0.50) | CA1CA2CA4CA7CA9 | |
| SCHEMBL28532993 | 0.84 | CA1 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL28547714 | 0.84 | CA1 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL28596778 | 0.84 | SMN1; SMN2 (0.38) | METAP1BACE1SMN1; SMN2PARP1PARP10 | |
| SCHEMBL28737932 | 0.82 | SMN1; SMN2 (0.48) | CA1CA2CA4CA7CA9 | |
| SCHEMBL12083344 | 0.82 | BACE1 (0.40) | BACE1SMN1; SMN2KDM4EATMALDH1A1 | |
| SCHEMBL12083380 | 0.80 | ALDH1A1 (0.45) | CA1CA2CA7CA9BACE1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105521826-A | Zirconium catalyst and method for preparing chiral alpha-hydroxy-beta-keto ester compound by use of zirconium catalyst | UNIV DALIAN TECH | 2016-04-27 | — | — | CN | disclosed |